>compound 5-Aminovaleric acid_5-Aminovaleric acid
#instrument UPLC Q-Tof Premier, Waters
>formula C5H11NO2
#smiles NCCCCC(O)=O
#RECORD LC-ESI-QTOF_train_data/PR100327.txt;LC-ESI-QTOF_train_data/PR100762.txt
>charge 1
>ionization [M+H]+
>parentmass 118.08677

>collision 5-60
55.0554 62.58
56.0512 25.95
83.0498 34.92
100.0764 151.5
101.06 439.3
118.0868 119.2

>collision 5-60
99.9265 1.769
115.9209 1.637
116.0712 28.62

